N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 64758061

IUPACN-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)C1CCCO1
InChIInChI=1S/C13H22F3NO/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyCWDOMKWVJSEWLK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758061) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758061
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)C1CCCO1
InChIInChI=1S/C13H22F3NO/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyCWDOMKWVJSEWLK-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
8-Methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
CID 134430011
(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine
CID 154681393
trans-(1R,6S)-2,2-difluoro-6-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxymethyl]cyclohexan-1-amine
CID 156429707
(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine
CID 156774035
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435246
N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748976
N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788073

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 64758061) is N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCCC1C(F)(F)F)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CWDOMKWVJSEWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).